Mixture of Acetonitrile + Acetone + Water

Excel

Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8

Acetone

Name
Acetone
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChI Key
CSCPPACGZOOCGX-UHFFFAOYSA-N
Formula
C3H6O
SMILES
CC(C)=O
Mol. Weight (g/mol)
58.08
CAS
67-64-1

Water

Name
Water
InChI
InChI=1S/H2O/h1H2
InChI Key
XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula
H2O
SMILES
O
Mol. Weight (g/mol)
18.02
CAS
7732-18-5
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Datasets

  1. Vapor Liquid Equilibrium at Constant Pressure

Vapor Liquid Equilibrium at Constant Pressure [ref]

Operational condition: Pressure, kPa = 101.33 (VLE)

Fixed Measured
T [K] - VLE x1[mol/mol] of Acetone (2) - Liquid x2[mol/mol] of Acetonitrile (1) - Liquid y1[mol/mol] of Acetone (2) - Vapour y2[mol/mol] of Acetonitrile (1) - Vapour
365.35 0.0025 0.0168 0.0636 0.1960
357.95 0.0043 0.0507 0.0805 0.3955
351.85 0.0084 0.1050 0.0751 0.4820
357.15 0.0136 0.0241 0.2330 0.1970
349.95 0.0137 0.1960 0.0755 0.5440
349.75 0.0192 0.2860 0.0756 0.5620
349.95 0.0198 0.6810 0.0354 0.6680
353.15 0.0200 0.0284 0.3140 0.2010
349.35 0.0258 0.4190 0.0704 0.5700
348.55 0.0364 0.6610 0.0721 0.6360
350.75 0.0429 0.8834 0.0801 0.7910
346.35 0.0608 0.0582 0.4450 0.2190
347.35 0.0810 0.6420 0.1430 0.5750
348.15 0.0890 0.7430 0.1560 0.6130
348.65 0.0961 0.8190 0.1720 0.6850
346.15 0.1110 0.6110 0.1870 0.5420
346.15 0.1390 0.7270 0.2380 0.5880
341.05 0.1440 0.0455 0.6280 0.1060
339.15 0.1620 0.0540 0.6240 0.1048
341.55 0.1830 0.1410 0.5170 0.2090
344.35 0.1960 0.5420 0.3160 0.4330
344.35 0.2000 0.6400 0.3340 0.4920
341.75 0.2680 0.5010 0.4170 0.3680
342.75 0.2860 0.5640 0.4360 0.4070
338.55 0.3210 0.1870 0.6070 0.1740
340.75 0.3380 0.4520 0.5000 0.3210
340.65 0.3420 0.4690 0.5080 0.3290
336.35 0.3580 0.0918 0.7110 0.0890
338.15 0.4480 0.3420 0.6150 0.2260
337.45 0.4900 0.2640 0.6660 0.1750

Sources